1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one

C18H19BrN2O — CID 26690069

IUPAC1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O/c19-17-5-2-1-4-15(17)13-20-12-14-7-9-16(10-8-14)21-11-3-6-18(21)22/h1-2,4-5,7-10,20H,3,6,11-13H2
InChIKeyMHMWZQOGPIBRGA-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 26690069) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
PubChem CID26690069
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O/c19-17-5-2-1-4-15(17)13-20-12-14-7-9-16(10-8-14)21-11-3-6-18(21)22/h1-2,4-5,7-10,20H,3,6,11-13H2
InChIKeyMHMWZQOGPIBRGA-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
CID 119110221
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 28878132
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
CID 62760532
1-[4-[[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690458
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9152244
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
CID 65476357

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one (CID 26690069) is 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CNCc2ccccc2Br)cc1.
What is the InChIKey of 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is MHMWZQOGPIBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-17-5-2-1-4-15(17)13-20-12-14-7-9-16(10-8-14)21-11-3-6-18(21)22/h1-2,4-5,7-10,20H,3,6,11-13H2.
What are the key properties of 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 359.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 26690069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).